Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.8114    0.5576    0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697    0.3684   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -0.8016   -0.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598   -0.7604   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1262   -1.9483    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035   -2.0140    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1849   -0.8145    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5382    0.3931   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1529    0.4187   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847    1.6749   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3895    1.4610    0.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038   -0.1958    0.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2607    1.1089   -0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4130   -2.9059    0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0331   -2.9672    0.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800   -0.8486    0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590    1.3624   -0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313    2.2554    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0928    2.2146   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3849    1.4417   -0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers